CID 3051360

Glucofuranose, 1:2,5:6-di-o-isopropylidene-3-o-(2-(dimethylamino)ethyl)-, alpha-d-

Structural Information

Molecular Formula
C16H29NO6
SMILES
CC1(OC[C@@H](O1)[C@@H]2[C@@H](C3C(O2)OC(O3)(C)C)OCCN(C)C)C
InChI
InChI=1S/C16H29NO6/c1-15(2)19-9-10(21-15)11-12(18-8-7-17(5)6)13-14(20-11)23-16(3,4)22-13/h10-14H,7-9H2,1-6H3/t10-,11-,12+,13?,14?/m1/s1
InChIKey
XDRXOQSVOLHAPG-BFKVFCTQSA-N
Compound name
2-[[(5R,6S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.1995 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.206776 175.0
[M+Na]+ 354.188718 181.2
[M-H]- 330.192224 186.3
[M+NH4]+ 349.233323 192.7
[M+K]+ 370.162658 186.1
[M+H-H2O]+ 314.196760 175.1
[M+HCOO]- 376.197701 190.7
[M+CH3COO]- 390.213351 214.4
[M+Na-2H]- 352.174166 177.4
[M]+ 331.19895142 183.1
[M]- 331.20004858 183.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.